Glutarate

Glutarate

SCHEMBL2343643

CC(C)CC(N)c1ccccc1N1CCCCC1.O=C(O)CCCC(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 17/20 0.53
KCNQ2 O43526 1/20 0.45
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.43
ABCC8 Q09428 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Adipic Acid SCHEMBL27822651 0.98 MC4R (0.53) MC4RKCNQ2CYP3A4GAAABCC8
D-Glutamate SCHEMBL27876703 0.89 MC4R (0.49) MC4RKCNQ2CYP3A4GAAABCC8
SCHEMBL390826 0.87 MC4R (0.54) MC4RKCNQ2CYP3A4GAA
SCHEMBL442668 0.87 MC4R (0.54) MC4RKCNQ2CYP3A4GAA
SCHEMBL17871701 0.87 MC4R (0.54) MC4RKCNQ2CYP3A4GAA
SCHEMBL1964089 0.87 MC4R (0.54) MC4RKCNQ2CYP3A4GAA
SCHEMBL31388217 0.87 MC4R (0.54) MC4RKCNQ2CYP3A4GAA
SCHEMBL31128130 0.87 MC4R (0.54) MC4RKCNQ2CYP3A4GAA
Hydrochloric Acid SCHEMBL17871800 0.86 MC4R (0.53) MC4RKCNQ2CYP3A4GAA
SCHEMBL5792053 0.85 MC4R (0.55) MC4RKCNQ2CYP3A4GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358369-A1 Process for the preparation of substantially optically pure repaglinide and precursors thereof Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2011-08-24 EP disclosed
WO-2010046360-A1 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY OPTICALLY PURE REPAGLINIDE AND PRECURSORS THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2010-04-29 WO disclosed
EP-2177221-A1 Process for the preparation of substantially optically pure Repaglinide and precursors thereof Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2010-04-21 EP disclosed